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Differential-Equation Solution

The differential-equation solution of the quantum harmonic oscillator derives both the discrete energies and the position-space eigenfunctions directly from square integrability. Its essential logic is:

  1. scale out all dimensions;
  2. determine the admissible large-distance behavior;
  3. factor out the decaying Gaussian;
  4. solve the remaining equation by a power series;
  5. reject every series that regenerates exponential growth;
  6. normalize the surviving Hermite-polynomial solutions.

The polynomial condition is therefore physical, not cosmetic. It is how the boundary condition at infinity selects isolated energies.

For

H^=−ℏ22md2dx2+12mω2x2,\hat H =-\frac{\hbar^2}{2m}\frac{d^2}{dx^2} +\frac12m\omega^2x^2,

the stationary Schrödinger equation is

−ℏ22md2ψdx2+12mω2x2ψ=Eψ.-\frac{\hbar^2}{2m}\frac{d^2\psi}{dx^2} +\frac12m\omega^2x^2\psi =E\psi.

An admissible bound-state solution must belong to L2(R)L^2(\mathbb R):

∫−∞∞∣ψ(x)∣2 dx<∞.\int_{-\infty}^{\infty} \lvert\psi(x)\rvert^2\,dx<\infty.

The potential and its derivatives are finite everywhere, so ψ\psi and dψ/dxd\psi/dx are continuous on the real line. There are no finite-position matching boundaries. The spectral information enters through decay at both infinities.

Introduce the oscillator length and dimensionless coordinate

ℓ=ℏmω,ξ=xℓ,\ell=\sqrt{\frac{\hbar}{m\omega}}, \qquad \xi=\frac{x}{\ell},

and define

ϵ=Eℏω.\epsilon=\frac{E}{\hbar\omega}.

Because

ddx=1ℓddξ,ℏ2mℓ2=ℏω,mω2ℓ2=ℏω,\frac{d}{dx} =\frac{1}{\ell}\frac{d}{d\xi}, \qquad \frac{\hbar^2}{m\ell^2} =\hbar\omega, \qquad m\omega^2\ell^2 =\hbar\omega,

the equation becomes

12(−d2dξ2+ξ2)ψ(ξ)=ϵψ(ξ).\frac12\left( -\frac{d^2}{d\xi^2}+\xi^2 \right)\psi(\xi) =\epsilon\psi(\xi).

Equivalently,

d2ψdξ2+(2ϵ−ξ2)ψ=0.\frac{d^2\psi}{d\xi^2} +(2\epsilon-\xi^2)\psi=0.

All dependence on mm, ω\omega, and ℏ\hbar has disappeared. The dimensional parameters will re-enter only when the solution is rescaled to xx and EE.

Some texts instead define a doubled spectral parameter λ=2E/(ℏω)\lambda=2E/(\hbar\omega). Their equation is −ψ′′+ξ2ψ=λψ-\psi''+\xi^2\psi=\lambda\psi and their final condition is λ=2n+1\lambda=2n+1. This is the same convention written differently.

For ∣ξ∣≫2ϵ\lvert\xi\rvert\gg\sqrt{2\epsilon}, the ξ2\xi^2 term dominates:

d2ψdξ2−ξ2ψ≈0.\frac{d^2\psi}{d\xi^2} -\xi^2\psi\approx0.

To determine the leading exponential behavior, try

ψ(ξ)∼eαξ2/2.\psi(\xi)\sim e^{\alpha\xi^2/2}.

Then

d2ψdξ2=(α+α2ξ2)ψ.\frac{d^2\psi}{d\xi^2} =\left(\alpha+\alpha^2\xi^2\right)\psi.

At leading order in ξ2\xi^2, the asymptotic equation requires

α2=1.\alpha^2=1.

Thus the two asymptotic branches behave roughly as

ψ(ξ)∼e−ξ2/2orψ(ξ)∼e+ξ2/2.\psi(\xi)\sim e^{-\xi^2/2} \quad\text{or}\quad \psi(\xi)\sim e^{+\xi^2/2}.

Only the first can be square-integrable. The omitted algebraic prefactors depend on the energy, but they cannot rescue the growing exponential. This analysis motivates extracting the decaying Gaussian before solving the remaining equation.

Write

ψ(ξ)=h(ξ)e−ξ2/2.\psi(\xi)=h(\xi)e^{-\xi^2/2}.

The derivatives are

dψdξ=e−ξ2/2(h′−ξh),\frac{d\psi}{d\xi} =e^{-\xi^2/2} \left(h'-\xi h\right),

and

d2ψdξ2=e−ξ2/2[h′′−2ξh′+(ξ2−1)h].\frac{d^2\psi}{d\xi^2} =e^{-\xi^2/2} \left[ h''-2\xi h' +(\xi^2-1)h \right].

Substituting into ψ′′+(2ϵ−ξ2)ψ=0\psi''+(2\epsilon-\xi^2)\psi=0 and dividing by the nonzero Gaussian gives

h′′−2ξh′+(2ϵ−1)h=0.h''-2\xi h' +(2\epsilon-1)h=0.

This becomes the physicists’ Hermite equation when

2ϵ−1=2n,2\epsilon-1=2n,

but that condition has not yet been established. It must follow from the behavior of the general solution.

The differential equation has no finite singular points, so expand about the origin:

h(ξ)=∑j=0∞ajξj.h(\xi)=\sum_{j=0}^{\infty}a_j\xi^j.

Then

h′=∑j=0∞(j+1)aj+1ξj,h' =\sum_{j=0}^{\infty}(j+1)a_{j+1}\xi^j,

and

h′′=∑j=0∞(j+2)(j+1)aj+2ξj.h'' =\sum_{j=0}^{\infty} (j+2)(j+1)a_{j+2}\xi^j.

After shifting indices in the ξh′\xi h' term, the coefficient of each power ξj\xi^j must vanish:

(j+2)(j+1)aj+2+(2ϵ−1−2j)aj=0.(j+2)(j+1)a_{j+2} +(2\epsilon-1-2j)a_j=0.

Therefore

aj+2=2j+1−2ϵ(j+2)(j+1)aj.a_{j+2} =\frac{2j+1-2\epsilon} {(j+2)(j+1)}a_j.

The recurrence advances by two powers. It consequently generates two independent solutions:

  • an even series fixed by a0a_0 with a1=0a_1=0;
  • an odd series fixed by a1a_1 with a0=0a_0=0.

This is the differential-equation origin of definite parity. Since the one-dimensional oscillator has nondegenerate bound states, a physical eigenfunction cannot contain independent even and odd pieces at the same energy.

For large jj at fixed ϵ\epsilon, the recurrence behaves as

aj+2aj∼2j.\frac{a_{j+2}}{a_j} \sim\frac{2}{j}.

The coefficients of eξ2e^{\xi^2} have the same large-order ratio. Thus a nonterminating h(ξ)h(\xi) generically develops the behavior

h(ξ)∼eξ2h(\xi)\sim e^{\xi^2}

in at least one asymptotic direction. Restoring the extracted Gaussian gives

ψ(ξ)=h(ξ)e−ξ2/2∼e+ξ2/2,\psi(\xi) =h(\xi)e^{-\xi^2/2} \sim e^{+\xi^2/2},

which is not square-integrable.

This argument should be interpreted with a little care. For an arbitrary trial energy, one can choose a solution that decays as ξ→+∞\xi\to+\infty, but it then generally contains a growing component as ξ→−∞\xi\to-\infty, or vice versa. A normalizable bound state must decay at both ends. Only isolated energies allow those two boundary requirements to be satisfied simultaneously.

The problematic growth disappears if the nonzero parity series terminates. Suppose its highest power is ξn\xi^n with an≠0a_n\ne0. The next coefficient vanishes only if

2n+1−2ϵ=0.2n+1-2\epsilon=0.

Hence

ϵn=n+12,n=0,1,2,…\epsilon_n=n+\frac12, \qquad n=0,1,2,\ldots

and therefore

En=ℏω(n+12).E_n=\hbar\omega\left(n+\frac12\right).

Once the numerator vanishes at j=nj=n, all later coefficients of the same parity vanish. The surviving degree-nn polynomial is proportional to the physicists’ Hermite polynomial Hn(ξ)H_n(\xi):

hn(ξ)=CnHn(ξ).h_n(\xi)=C_nH_n(\xi).

For even nn, the acceptable polynomial comes from the even series; for odd nn, it comes from the odd series. The other parity solution at the same energy does not terminate and must be discarded.

Normalizability has now done two jobs at once: it has selected the discrete energies and the allowed parity branch at each energy.

The Hermite equation for level nn is

Hn′′−2ξHn′+2nHn=0.H_n''-2\xi H_n'+2nH_n=0.

With the conventional leading coefficient 2n2^n,

H0(ξ)=1,H1(ξ)=2ξ,H2(ξ)=4ξ2−2,H3(ξ)=8ξ3−12ξ.\begin{aligned} H_0(\xi)&=1,\\ H_1(\xi)&=2\xi,\\ H_2(\xi)&=4\xi^2-2,\\ H_3(\xi)&=8\xi^3-12\xi. \end{aligned}

The corresponding unnormalized eigenfunctions are

ψ0(ξ)∝e−ξ2/2,ψ1(ξ)∝ξe−ξ2/2,ψ2(ξ)∝(2ξ2−1)e−ξ2/2,ψ3(ξ)∝(2ξ3−3ξ)e−ξ2/2.\begin{aligned} \psi_0(\xi)&\propto e^{-\xi^2/2},\\ \psi_1(\xi)&\propto \xi e^{-\xi^2/2},\\ \psi_2(\xi)&\propto (2\xi^2-1)e^{-\xi^2/2},\\ \psi_3(\xi)&\propto (2\xi^3-3\xi)e^{-\xi^2/2}. \end{aligned}

Multiplying a polynomial by a nonzero constant does not change the physical state after normalization, so the simplified polynomial factors above are equivalent to HnH_n.

The physicists’ Hermite polynomials obey

∫−∞∞e−ξ2Hm(ξ)Hn(ξ) dξ=π 2nn! δmn.\int_{-\infty}^{\infty} e^{-\xi^2}H_m(\xi)H_n(\xi)\,d\xi =\sqrt{\pi}\,2^n n!\,\delta_{mn}.

Let

ψn(x)=AnHn(x/ℓ)e−x2/(2ℓ2).\psi_n(x) =A_n H_n(x/\ell) e^{-x^2/(2\ell^2)}.

Using dx=ℓ dξdx=\ell\,d\xi,

δmn=∫−∞∞ψm∗(x)ψn(x) dx=Am∗Anℓ∫−∞∞e−ξ2Hm(ξ)Hn(ξ) dξ.\begin{aligned} \delta_{mn} &=\int_{-\infty}^{\infty} \psi_m^*(x)\psi_n(x)\,dx\\ &=A_m^*A_n\ell \int_{-\infty}^{\infty} e^{-\xi^2}H_m(\xi)H_n(\xi)\,d\xi. \end{aligned}

Choosing real positive normalization constants gives

An=1π1/42nn! ℓ.A_n =\frac{1} {\pi^{1/4}\sqrt{2^n n!\,\ell}}.

Thus

ψn(x)=12nn!(1πℓ2)1/4Hn(xℓ)e−x2/(2ℓ2).\psi_n(x) =\frac{1}{\sqrt{2^n n!}} \left(\frac{1}{\pi\ell^2}\right)^{1/4} H_n\left(\frac{x}{\ell}\right) e^{-x^2/(2\ell^2)}.

The factor ℓ−1/2\ell^{-1/2} is required dimensionally: a normalized one-dimensional wavefunction has units of inverse square root of length.

The Hermite Functions page develops orthonormality, completeness, recurrences, and Fourier-transform identities without repeating this quantization derivation.

Because

Hn(−ξ)=(−1)nHn(ξ),H_n(-\xi)=(-1)^nH_n(\xi),

the eigenfunctions satisfy

ψn(−x)=(−1)nψn(x).\psi_n(-x)=(-1)^n\psi_n(x).

HnH_n has nn distinct real zeros, so ψn\psi_n has exactly nn nodes. This agrees with the Sturm oscillation theorem: in a one-dimensional confining potential, the nnth bound state ordered from the bottom has nn nodes.

Nondegeneracy can be seen directly. If ψ\psi and χ\chi are square-integrable solutions at the same energy, their Wronskian

W(x)=ψ(x)χ′(x)−ψ′(x)χ(x)W(x)=\psi(x)\chi'(x)-\psi'(x)\chi(x)

has derivative W′(x)=0W'(x)=0. Both functions and their derivatives decay at infinity, so the constant Wronskian is zero. The two solutions are therefore linearly dependent. There is only one physical state, up to normalization and phase, at each EnE_n.

For the ground state,

ψ0(x)=A0e−x2/(2ℓ2),\psi_0(x)=A_0e^{-x^2/(2\ell^2)},

one finds

d2ψ0dx2=(x2ℓ4−1ℓ2)ψ0.\frac{d^2\psi_0}{dx^2} =\left( \frac{x^2}{\ell^4}-\frac{1}{\ell^2} \right)\psi_0.

Substitution into the dimensional Schrödinger equation cancels the x2x^2 terms and leaves

H^ψ0=12ℏω ψ0.\hat H\psi_0=\frac12\hbar\omega\,\psi_0.

For every nn, three quick checks are available:

  • parity must be (−1)n(-1)^n;
  • the polynomial degree and node count must be nn;
  • applying the Hamiltonian must produce ℏω(n+1/2)ψn\hbar\omega(n+1/2)\psi_n with no residual power of xx.

These checks often catch a missing factor of two in the Gaussian or confusion between the physicists’ and probabilists’ Hermite conventions.

The classical turning points are

xt(n)=±ℓ2n+1.x_{\mathrm t}^{(n)} =\pm\ell\sqrt{2n+1}.

They are not boundaries of the differential equation. The polynomial times Gaussian remains nonzero outside them and decays only as ∣x∣→∞\lvert x\rvert\to\infty. This penetration is present even for the ground state, whose turning points lie at ±ℓ\pm\ell while its Gaussian extends over all xx.

The polynomial factor modifies the detailed tail but never defeats Gaussian decay:

ψn(x)∼xne−x2/(2ℓ2)as ∣x∣→∞.\psi_n(x) \sim x^n e^{-x^2/(2\ell^2)} \quad \text{as }\lvert x\rvert\to\infty.

Any solution behaving like e+x2/(2ℓ2)e^{+x^2/(2\ell^2)} is excluded, regardless of its behavior over a finite plotting interval.

The same quantization logic appears in numerical shooting. Parity supplies initial data at the origin:

parityψ(0)ψ′(0)even10odd01\begin{array}{c|cc} \text{parity} & \psi(0) & \psi'(0)\\ \hline \text{even} & 1 & 0\\ \text{odd} & 0 & 1 \end{array}

for arbitrary overall normalization. Integrating outward at a trial energy almost always produces contamination by the exponentially growing branch. The eigenvalues are the isolated trial energies for which the coefficient of that branch vanishes.

Naive outward integration becomes ill-conditioned far into the forbidden region because even tiny numerical contamination eventually dominates the decaying solution. Stable alternatives include matching logarithmic derivatives from opposite sides, diagonalizing the Hamiltonian in a basis, or integrating only to a finite matching point while monitoring convergence.

  • Defining ϵ=E/(ℏω)\epsilon=E/(\hbar\omega) but using formulas derived for λ=2E/(ℏω)\lambda=2E/(\hbar\omega).
  • Writing e−x2/ℓ2e^{-x^2/\ell^2} rather than e−x2/(2ℓ2)e^{-x^2/(2\ell^2)} for the wavefunction.
  • Treating the Gaussian factor as a lucky guess instead of deriving its asymptotic exponent.
  • Saying the series terminates merely to make the answer simple.
  • Keeping both even and odd series at one nondegenerate energy.
  • Forgetting dx=ℓ dξdx=\ell\,d\xi during normalization.
  • Mixing physicists’ Hn(ξ)H_n(\xi) with probabilists’ Hermite polynomials.
  • Mistaking the classical turning points for hard-wall boundary conditions.
  • Assuming a numerical solution that looks bounded on a finite interval will remain normalizable at infinity.
  • D. J. Griffiths and D. F. Schroeter, Introduction to Quantum Mechanics, 3rd ed., Cambridge University Press, 2018, sec. 2.3.
  • R. Shankar, Principles of Quantum Mechanics, 2nd ed., Springer, 1994, sec. 7.2.
  • C. Cohen-Tannoudji, B. Diu, and F. Laloë, Quantum Mechanics, vol. 1, Wiley, 1977, complement V A.
  • L. D. Landau and E. M. Lifshitz, Quantum Mechanics: Non-Relativistic Theory, 3rd ed., Butterworth-Heinemann, 1977, sec. 23.
  • G. B. Arfken, H. J. Weber, and F. E. Harris, Mathematical Methods for Physicists, 7th ed., Academic Press, 2013, sec. 18.3.
  1. Verify every term in the dimensionless equation starting from the dimensional Schrödinger equation.
Solution

Using x=ℓξx=\ell\xi and ℓ2=ℏ/(mω)\ell^2=\hbar/(m\omega),

−ℏ22md2dx2=−ℏ22mℓ2d2dξ2=−ℏω2d2dξ2,-\frac{\hbar^2}{2m}\frac{d^2}{dx^2} =-\frac{\hbar^2}{2m\ell^2}\frac{d^2}{d\xi^2} =-\frac{\hbar\omega}{2}\frac{d^2}{d\xi^2},

while

12mω2x2=12mω2ℓ2ξ2=ℏω2ξ2.\frac12m\omega^2x^2 =\frac12m\omega^2\ell^2\xi^2 =\frac{\hbar\omega}{2}\xi^2.

Dividing the full equation by ℏω\hbar\omega gives

12(−d2dξ2+ξ2)ψ=Eℏωψ.\frac12\left( -\frac{d^2}{d\xi^2}+\xi^2 \right)\psi =\frac{E}{\hbar\omega}\psi.
  1. Starting from ψ=he−ξ2/2\psi=h e^{-\xi^2/2}, derive the differential equation for hh without skipping the derivative terms.
Solution

Differentiation gives

ψ′=e−ξ2/2(h′−ξh)\psi'=e^{-\xi^2/2}(h'-\xi h)

and

ψ′′=e−ξ2/2[h′′−2ξh′+(ξ2−1)h].\psi'' =e^{-\xi^2/2} \left[h''-2\xi h'+(\xi^2-1)h\right].

Insert this into ψ′′+(2ϵ−ξ2)ψ=0\psi''+(2\epsilon-\xi^2)\psi=0. The ξ2h\xi^2h terms cancel, leaving

h′′−2ξh′+(2ϵ−1)h=0.h''-2\xi h'+(2\epsilon-1)h=0.
  1. Use the recurrence relation to construct the polynomial for n=2n=2 and identify its energy.
Solution

For termination at n=2n=2,

ϵ=2+12=52.\epsilon=2+\frac12=\frac52.

The even recurrence begins with arbitrary a0a_0:

a2=1−2ϵ2a0=−2a0.a_2 =\frac{1-2\epsilon}{2}a_0 =-2a_0.

At j=2j=2 the next numerator vanishes, so a4=0a_4=0. Thus

h(ξ)=a0(1−2ξ2).h(\xi)=a_0(1-2\xi^2).

This is proportional to H2(ξ)=4ξ2−2H_2(\xi)=4\xi^2-2. The energy is E2=5ℏω/2E_2=5\hbar\omega/2.

  1. Normalize the first excited state written as ψ1(x)=Cxe−x2/(2ℓ2)\psi_1(x)=Cxe^{-x^2/(2\ell^2)}.
Solution

Normalization requires

1=∣C∣2∫−∞∞x2e−x2/ℓ2 dx.1 =\lvert C\rvert^2 \int_{-\infty}^{\infty} x^2e^{-x^2/\ell^2}\,dx.

The Gaussian moment is

∫−∞∞x2e−x2/ℓ2 dx=π2ℓ3.\int_{-\infty}^{\infty} x^2e^{-x^2/\ell^2}\,dx =\frac{\sqrt\pi}{2}\ell^3.

Choosing CC real and positive gives

C=2π1/4ℓ3/2,C=\frac{\sqrt2}{\pi^{1/4}\ell^{3/2}},

in agreement with the general formula.

  1. Show from the Wronskian that two square-integrable oscillator solutions with the same energy must be proportional.
Solution

For two solutions ψ\psi and χ\chi at the same EE, subtract ψ\psi times the equation for χ\chi from χ\chi times the equation for ψ\psi. The potential and energy terms cancel, leaving

ψχ′′−χψ′′=0.\psi\chi''-\chi\psi''=0.

But

ddx(ψχ′−ψ′χ)=ψχ′′−ψ′′χ,\frac{d}{dx} \left(\psi\chi'-\psi'\chi\right) =\psi\chi''-\psi''\chi,

so the Wronskian is constant. Bound-state solutions and their derivatives vanish at infinity, making that constant zero. A vanishing Wronskian for solutions of a second-order linear equation implies linear dependence.

  1. In an even-parity shooting calculation, why can a tiny energy error be nearly invisible near the origin but catastrophic at large ξ\xi?
Solution

Near the origin, both the physical and nonphysical solutions are finite, so a small admixture of the wrong solution can remain numerically small. In the forbidden region, however, the two independent asymptotic branches behave roughly as e−ξ2/2e^{-\xi^2/2} and e+ξ2/2e^{+\xi^2/2}. Their ratio grows as eξ2e^{\xi^2}. Any nonzero coefficient of the growing branch eventually dominates, so outward shooting is exponentially sensitive to the trial energy and roundoff.